(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide

C18H15ClN4O2 — CID 108856337

IUPAC(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide
SMILESCC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C18H15ClN4O2/c1-11(24)12-2-4-14(5-3-12)23-18(25)13(9-20)10-22-15-6-7-17(21)16(19)8-15/h2-8,10,22H,21H2,1H3,(H,23,25)/b13-10-
InChIKeyFSRKMUMWSGMNMZ-RAXLEYEMSA-N
MW354.80 g/mol
LogP3.58
Rot. Bonds5

About (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide

(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide (PubChem CID 108856337) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide
PubChem CID108856337
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide
SMILESCC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C18H15ClN4O2/c1-11(24)12-2-4-14(5-3-12)23-18(25)13(9-20)10-22-15-6-7-17(21)16(19)8-15/h2-8,10,22H,21H2,1H3,(H,23,25)/b13-10-
InChIKeyFSRKMUMWSGMNMZ-RAXLEYEMSA-N
XLogP3.58
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-amino-3-chlorophenyl)-3-(3-bromoanilino)-2-cyanoprop-2-enamide
CID 108859670
(Z)-3-(3-acetylanilino)-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 108821752
4-[[(Z)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108856239
4-[[(Z)-3-(3-chloro-4-methylanilino)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108823151
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(propan-2-ylamino)prop-2-enamide
CID 108859278
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enamide
CID 108859488
(Z)-N-(4-acetylphenyl)-2-cyano-3-(methylamino)prop-2-enamide
CID 108856416
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108859834
(Z)-N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)-2-cyanoprop-2-enamide
CID 108856504
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2,5-dichloroanilino)prop-2-enamide
CID 108859256
2-[[(Z)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enoyl]amino]propanoic acid
CID 108844784
(Z)-3-(3-acetylanilino)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108825853

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide (CID 108856337) is (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide is CC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide?
The InChIKey is FSRKMUMWSGMNMZ-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-11(24)12-2-4-14(5-3-12)23-18(25)13(9-20)10-22-15-6-7-17(21)16(19)8-15/h2-8,10,22H,21H2,1H3,(H,23,25)/b13-10-.
What are the key properties of (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide?
(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide has a molecular weight of 354.80 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide is sourced from PubChem (CID 108856337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).